MMsINC Database Search


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MMsINC code: MMs01318960

Type: Neutral
Formula: C₂₂H₁₅ClN₂O₂

SMILES:

Clc1ccc(cc1)-c1cc2n(C=CC=C2)c1C(=O)C(=O)Nc1ccccc1

InChI:

InChI=1/C22H15ClN2O2/c23-16-11-9-15(10-12-16)19-14-18-8-4-5-13-25(18)20(19)21(26)22(27)24-17-6-2-1-3-7-17/h1-14H,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.429 kcal/mol

Physical Properties
Molecular Weight: 374.827 g/mol	logS: -6.39075	SlogP: 5.1274	Reactive groups: 0

Topological Properties
Globularity: 0.134309	Sterimol/B1: 2.78889	Sterimol/B2: 5.2507	Sterimol/B3: 5.43028
Sterimol/B4: 9.1941	Sterimol/L: 14.9235

Surface and Volume Properties
Accessible surface: 619.46	Positive charged surface: 284.325	Negative charged surface: 335.135	Volume: 345.625
Hydrophobic surface: 559.991	Hydrophilic surface: 59.469

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.